1-[(3R)-3-fluoropiperidin-1-yl]prop-2-en-1-one

C8H12FNO — CID 118449997

IUPAC1-[(3R)-3-fluoropiperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC[C@@H](F)C1
InChIInChI=1S/C8H12FNO/c1-2-8(11)10-5-3-4-7(9)6-10/h2,7H,1,3-6H2/t7-/m1/s1
InChIKeyIOAVRXGNDWMMRD-SSDOTTSWSA-N
MW157.19 g/mol
LogP1.13
Rot. Bonds1

About 1-[(3R)-3-fluoropiperidin-1-yl]prop-2-en-1-one

1-[(3R)-3-fluoropiperidin-1-yl]prop-2-en-1-one (PubChem CID 118449997) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is 1-[(3R)-3-fluoropiperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[(3R)-3-fluoropiperidin-1-yl]prop-2-en-1-one
PubChem CID118449997
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name1-[(3R)-3-fluoropiperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC[C@@H](F)C1
InChIInChI=1S/C8H12FNO/c1-2-8(11)10-5-3-4-7(9)6-10/h2,7H,1,3-6H2/t7-/m1/s1
InChIKeyIOAVRXGNDWMMRD-SSDOTTSWSA-N
XLogP1.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-fluoropiperidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[(3R)-3-fluoropiperidin-1-yl]prop-2-en-1-one (CID 118449997) is 1-[(3R)-3-fluoropiperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[(3R)-3-fluoropiperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[(3R)-3-fluoropiperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC[C@@H](F)C1.
What is the InChIKey of 1-[(3R)-3-fluoropiperidin-1-yl]prop-2-en-1-one?
The InChIKey is IOAVRXGNDWMMRD-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12FNO/c1-2-8(11)10-5-3-4-7(9)6-10/h2,7H,1,3-6H2/t7-/m1/s1.
What are the key properties of 1-[(3R)-3-fluoropiperidin-1-yl]prop-2-en-1-one?
1-[(3R)-3-fluoropiperidin-1-yl]prop-2-en-1-one has a molecular weight of 157.19 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-fluoropiperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 118449997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).